3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide

C14H28N2O — CID 80706316

IUPAC3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-5-16(6-2)13(17)8-10-15-12-7-9-14(3,4)11-12/h12,15H,5-11H2,1-4H3
InChIKeyJSGXCVRXNGRGBD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds6

About 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide

3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide (PubChem CID 80706316) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
PubChem CID80706316
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-5-16(6-2)13(17)8-10-15-12-7-9-14(3,4)11-12/h12,15H,5-11H2,1-4H3
InChIKeyJSGXCVRXNGRGBD-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide (CID 80706316) is 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CCC(C)(C)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide?
The InChIKey is JSGXCVRXNGRGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-16(6-2)13(17)8-10-15-12-7-9-14(3,4)11-12/h12,15H,5-11H2,1-4H3.
What are the key properties of 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide?
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 80706316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).